Detailed information for compound 502707

Basic information

Technical information
  • TDR Targets ID: 502707
  • Name: ethyl 5-amino-2-methyl-4-phenyl-6,7,8,9-tetra hydrobenzo[b][1,8]naphthyridine-3-carboxylate
  • MW: 361.437 | Formula: C22H23N3O2
  • H donors: 1 H acceptors: 3 LogP: 4.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)nc2c(c1c1ccccc1)c(N)c1c(n2)CCCC1
  • InChi: 1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)
  • InChiKey: UNCWLZOGXZCOJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-2-methyl-4-phenyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylic acid ethyl ester
  • ethyl 5-azanyl-2-methyl-4-phenyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
  • ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
  • ethyl 5-amino-2-methyl-4-phenyl-6,7,8,9-tetrahydropyrido[6,5-b]quinoline-3-carboxylate
  • 5-amino-2-methyl-4-phenyl-6,7,8,9-tetrahydropyrido[6,5-b]quinoline-3-carboxylic acid ethyl ester
  • TK-19
  • ITH-4012

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL No references
Electrophorus electricus Acetylcholinesterase Starlite/ChEMBL References
Equus caballus Cholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus neuroligin Cholinesterase   574 aa 492 aa 24.4 %
Onchocerca volvulus Galectin homolog Cholinesterase   574 aa 531 aa 39.7 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 538 aa 31.4 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   633 aa 622 aa 24.9 %
Schistosoma mansoni gliotactin Cholinesterase   574 aa 587 aa 27.9 %
Onchocerca volvulus Acetylcholinesterase   633 aa 648 aa 25.3 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 597 aa 25.1 %
Onchocerca volvulus Cholinesterase   574 aa 551 aa 29.9 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   633 aa 576 aa 28.8 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   633 aa 690 aa 32.3 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Cholinesterase   574 aa 554 aa 36.1 %
Onchocerca volvulus Cholinesterase   574 aa 578 aa 25.3 %
Onchocerca volvulus Putative nuclear protein Cholinesterase   574 aa 572 aa 40.9 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   633 aa 507 aa 23.9 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   633 aa 690 aa 31.7 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 576 aa 23.4 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 620 aa 28.4 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 517 aa 25.1 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Cholinesterase   574 aa 577 aa 36.9 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   633 aa 549 aa 30.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0075 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0075 0.0176
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0075 0.0176
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0478 0.1656
Echinococcus granulosus importin subunit beta 1 0.0028 0.0307 0.0794
Echinococcus granulosus acetylcholinesterase 0.0246 0.3081 0.8179
Onchocerca volvulus 0.0041 0.0479 0.1634
Loa Loa (eye worm) importin-beta domain-containing protein 0.0005 0.0017 0.0023
Brugia malayi Importin beta-1 subunit 0.0028 0.0307 0.0971
Echinococcus multilocularis transportin 1 0.0005 0.0017 0.0009
Echinococcus granulosus carboxylesterase 5A 0.0246 0.3081 0.8179
Echinococcus multilocularis BC026374 protein (S09 family) 0.0041 0.0479 0.047
Echinococcus granulosus snurportin 1 0.0299 0.3765 1
Brugia malayi hypothetical protein 0.0041 0.0479 0.153
Echinococcus multilocularis para nitrobenzyl esterase 0.0041 0.0479 0.047
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0307 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.032 0.0311
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0434 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0041 0.0479 0.5
Brugia malayi Carboxylesterase family protein 0.0041 0.0479 0.153
Schistosoma mansoni importin beta-1 0.0028 0.0307 0.0794
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.032 0.0828
Leishmania major importin beta-1 subunit, putative 0.0023 0.0239 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0075 0.0215
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0016 0.0019
Loa Loa (eye worm) carboxylesterase 0.0041 0.0479 0.1251
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.032 0.6637
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0075 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0075 0.0215
Echinococcus granulosus neuroligin 0.0041 0.0479 0.1251
Schistosoma mansoni acetylcholinesterase 0.0041 0.0479 0.1251
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0306 0.0791
Schistosoma mansoni ran 0.0021 0.0213 0.0543
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.0029 0.032 0.0828
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0075 0.0176
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0041 0.0479 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0016 0.0019
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0239 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0075 0.0215
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0075 0.0176
Brugia malayi Pre-SET motif family protein 0.0029 0.032 0.1012
Brugia malayi hypothetical protein 0.0005 0.0016 0.0023
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0239 0.083
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0075 0.0215
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0075 0.0066
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0075 0.0176
Echinococcus granulosus acetylcholinesterase 0.0246 0.3081 0.8179
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0019
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.032 0.0828
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0307 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0075 0.0176
Brugia malayi nuclear receptor RXR 0.0005 0.0016 0.0023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0075 0.0066
Mycobacterium tuberculosis Carboxylesterase LipT 0.0041 0.0479 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0075 0.0176
Brugia malayi Carboxylesterase family protein 0.0041 0.0479 0.153
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0075 0.0066
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0246 0.3081 0.8179
Plasmodium falciparum importin beta, putative 0.0028 0.0307 0.6955
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0019
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.3765 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0075 0.0176
Onchocerca volvulus 0.0041 0.0479 0.1634
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0307 0.6369
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0016 0.0019
Onchocerca volvulus 0.001 0.0075 0.023
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0478 0.1656
Brugia malayi Pre-SET motif family protein 0.0202 0.2529 0.8204
Loa Loa (eye worm) carboxylesterase 0.0246 0.3081 0.8179
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0478 1
Echinococcus granulosus importin 5 0.0005 0.0017 0.0023
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0041 0.0479 0.1251
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0434 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.3081 0.8179
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0075 0.0176
Trichomonas vaginalis ran, putative 0.0021 0.0213 0.0737
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.1746 0.5655
Plasmodium vivax SET domain protein, putative 0.0029 0.032 0.6637
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0075 0.0176
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0075 0.0215
Echinococcus multilocularis carboxylesterase 5A 0.0246 0.3081 0.3075
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0016 0.0023
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0075 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0075 0.0215
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0016 0.0023
Brugia malayi kap beta 3 protein 0.0005 0.0017 0.0028
Echinococcus granulosus translational activator gcn1 0.0005 0.0017 0.0023
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0213 0.0543
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0041 0.0479 0.047
Schistosoma mansoni coup transcription factor 0.001 0.0075 0.0176
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.1746 0.4625
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1696 0.4491
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0075 0.0066
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0075 0.0066
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0075 0.0066
Onchocerca volvulus 0.0041 0.0479 0.1634
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0478 1
Brugia malayi hypothetical protein 0.0005 0.0016 0.0023
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0041 0.0479 0.5
Entamoeba histolytica Ran family GTPase 0.0021 0.0213 0.469
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0213 0.4364
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0075 0.0215
Brugia malayi ecdysteroid receptor 0.001 0.0075 0.0215
Loa Loa (eye worm) kap beta 3 protein 0.0005 0.0017 0.0023
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0213 0.0543
Schistosoma mansoni BC026374 protein (S09 family) 0.0041 0.0479 0.1251
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Brugia malayi Carboxylesterase family protein 0.0041 0.0479 0.153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.032 0.0828
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0075 0.0215
Brugia malayi RNA, U transporter 1 0.008 0.0966 0.3116
Entamoeba histolytica hypothetical protein 0.0023 0.0239 0.5333
Schistosoma mansoni nuclear hormone receptor 0.001 0.0075 0.0176
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0213 0.0204
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0019
Echinococcus multilocularis snurportin 1 0.0299 0.3765 0.3759
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0075 0.023
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0041 0.0479 0.1251
Onchocerca volvulus 0.023 0.2885 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0075 0.023
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0213 0.6744
Leishmania major GTP-binding protein, putative 0.0021 0.0213 0.8795
Onchocerca volvulus 0.0041 0.0479 0.1634
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0075 0.0215
Schistosoma mansoni ran 0.0021 0.0213 0.0543
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0075 0.0066
Echinococcus multilocularis translational activator gcn1 0.0005 0.0017 0.0009
Echinococcus granulosus FTZ F1 alpha 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Loa Loa (eye worm) carboxylesterase 0.0041 0.0479 0.1251
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0478 0.1249
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0075 0.0176
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0075 0.0215
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0213 0.469
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2529 0.671
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0019
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0016 0.0019
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0075 0.0176
Toxoplasma gondii HEAT repeat-containing protein 0.0005 0.0017 0.0212
Schistosoma mansoni neuroligin 3 (S09 family) 0.0041 0.0479 0.1251
Plasmodium vivax importin-beta 2, putative 0.0028 0.0307 0.6369
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0213 0.4364
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0307 0.0299
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0075 0.0176
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0075 0.0176
Echinococcus multilocularis acetylcholinesterase 0.0246 0.3081 0.3075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0075 0.0215
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Echinococcus multilocularis importin 5 0.0005 0.0017 0.0009
Trichomonas vaginalis hypothetical protein 0.0005 0.0017 0.006
Trichomonas vaginalis spcc417.12 protein, putative 0.0041 0.0479 0.1659
Brugia malayi Carboxylesterase family protein 0.0246 0.3081 1
Onchocerca volvulus 0.0029 0.032 0.1081
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0041 0.0479 0.1251
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0075 0.0066
Plasmodium vivax transportin, putative 0.0005 0.0017 0.0212
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.1746 0.1739
Toxoplasma gondii HEAT repeat-containing protein 0.0005 0.0017 0.0212
Loa Loa (eye worm) acetyltransferase 0.0141 0.1746 0.4625
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0075 0.0215
Echinococcus granulosus BC026374 protein S09 family 0.0041 0.0479 0.1251
Echinococcus multilocularis acetylcholinesterase 0.0246 0.3081 0.3075
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0075 0.0176
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0239 0.083
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0434 1
Schistosoma mansoni importin-beta 2 0.0005 0.0017 0.0023
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0239 0.083
Loa Loa (eye worm) hypothetical protein 0.0028 0.0307 0.0794
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Brugia malayi Carboxylesterase family protein 0.0041 0.0479 0.153
Brugia malayi nuclear hormone receptor 0.001 0.0075 0.0215
Brugia malayi steroid hormone receptor 0.001 0.0075 0.0215
Schistosoma mansoni hypothetical protein 0.0299 0.3765 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0478 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0075 0.0176
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0075 0.0176
Schistosoma mansoni thyroid hormone receptor 0.001 0.0075 0.0176
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0041 0.0479 0.1659
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.0246 0.3081 0.8179
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0075 0.0176
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0075 0.0176
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0075 0.0176
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.032 0.0311
Onchocerca volvulus 0.0041 0.0479 0.1634
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.032 0.0828
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0075 0.0215
Echinococcus multilocularis neuroligin 0.0041 0.0479 0.047
Brugia malayi nuclear receptor NHR-88 0.001 0.0075 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0075 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0075 0.0176
Loa Loa (eye worm) hypothetical protein 0.001 0.0075 0.0176
Echinococcus granulosus para nitrobenzyl esterase 0.0041 0.0479 0.1251
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0213 0.0664
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0019
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0041 0.0479 0.1251
Loa Loa (eye worm) acetylcholinesterase 1 0.0246 0.3081 0.8179
Trichomonas vaginalis set domain proteins, putative 0.023 0.2885 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0075 0.023
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0016 0.0007
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.1251
Schistosoma mansoni gliotactin 0.0041 0.0479 0.1251
Schistosoma mansoni thyroid hormone receptor 0.001 0.0075 0.0176
Brugia malayi Carboxylesterase family protein 0.0246 0.3081 1
Echinococcus granulosus transportin 1 0.0005 0.0017 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.032 0.0828

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 22.1 % Neuroprotective activity in human SH-SY5Y cells assessed as protection against okadaic acid-induced cell death at 1 uM after 24 hrs by MTT assay ChEMBL. 20575555
Activity (functional) = 26.8 % Neuroprotective activity in human SH-SY5Y cells assessed as protection against rotenone/oligomycin A-induced cell death at 1 uM after 24 hrs by LDH release assay ChEMBL. 20575555
IC50 (binding) = 6.09 Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate after 15 min by Ellman's method ChEMBL. No reference
IC50 (binding) = 822 nM Inhibition of electric eel AChE ChEMBL. 20350807
IC50 (binding) = 0.8 uM Inhibition of electric eel AChE by Ellman's method ChEMBL. 20575555
IC50 (binding) = 0.82 uM Inhibition of Electrophorus electricus AChE by spectrophotometry ChEMBL. 18640842
IC50 (binding) = 5 uM Inhibition of equine serum BuChE by Ellman's method ChEMBL. 20575555
IC50 (binding) = 5.03 uM Inhibition of Equus caballus BuChE ChEMBL. 20350807
logRA (binding) = -0.801 Inhibition of AchE (unknown origin) relative to tacrine ChEMBL. 17158047
logRA (binding) = -0.801 Inhibition of AchE (unknown origin) relative to tacrine ChEMBL. 17158047

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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